Phenanthridinium, 3,8-diamino-5-ethyl-6-heptyl-, bromide
Basic information
- CAS
65557-66-6- Standard SMILES
CCCCCCCc1c2cc(N)ccc2c2ccc(N)cc2[n+]1CC.[Br-]- InChIKey
HNMOTKDTDPGZGW-UHFFFAOYSA-N- Molecular formula
- C22H30BrN3
- Average molar mass
- 416.4 g/mol
- Monoisotopic mass
- 415.16231
Names & identifiers
- Preferred name
- Phenanthridinium, 3,8-diamino-5-ethyl-6-heptyl-, bromide
- IUPAC
- 5-ethyl-6-heptylphenanthridin-5-ium-3,8-diamine bromide
Names & synonyms
Phenanthridinium, 3,8-diamino-5-ethyl-6-heptyl-, bromide
Database identifiers
- CAS
65557-66-6- PubChem CID
- 149272
Properties
Computed structural properties
- Topological polar surface area
- 55.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 399
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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